6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one

C25H30N6O3 — CID 175844798

IUPAC6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
SMILESCN(C)CCCOc1ccc(-c2cccc3c2nnc2c3n(C3CCOCC3)c(=O)n2C)cn1
InChIInChI=1S/C25H30N6O3/c1-29(2)12-5-13-34-21-9-8-17(16-26-21)19-6-4-7-20-22(19)27-28-24-23(20)31(25(32)30(24)3)18-10-14-33-15-11-18/h4,6-9,16,18H,5,10-15H2,1-3H3
InChIKeyZHQKDYLASFQDTE-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.03
Rot. Bonds7

About 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one

6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one (PubChem CID 175844798) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
PubChem CID175844798
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
SMILESCN(C)CCCOc1ccc(-c2cccc3c2nnc2c3n(C3CCOCC3)c(=O)n2C)cn1
InChIInChI=1S/C25H30N6O3/c1-29(2)12-5-13-34-21-9-8-17(16-26-21)19-6-4-7-20-22(19)27-28-24-23(20)31(25(32)30(24)3)18-10-14-33-15-11-18/h4,6-9,16,18H,5,10-15H2,1-3H3
InChIKeyZHQKDYLASFQDTE-UHFFFAOYSA-N
XLogP3.03
TPSA87.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one (CID 175844798) is 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one is CN(C)CCCOc1ccc(-c2cccc3c2nnc2c3n(C3CCOCC3)c(=O)n2C)cn1.
What is the InChIKey of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The InChIKey is ZHQKDYLASFQDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-29(2)12-5-13-34-21-9-8-17(16-26-21)19-6-4-7-20-22(19)27-28-24-23(20)31(25(32)30(24)3)18-10-14-33-15-11-18/h4,6-9,16,18H,5,10-15H2,1-3H3.
What are the key properties of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one has a molecular weight of 462.55 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 175844798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).